SCHEMBL7919064

SCHEMBL7919064

C=C(CC(C#N)(CC(=C)C(=O)OCC)P(=O)(OCC)OCC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.33
ACHE P22303 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7920777 0.81 ALDH1A1 (0.38) ALDH1A1TSHRMAPT
SCHEMBL7911943 0.77 ALDH1A1 (0.35) ALDH1A1TSHRMAPT
SCHEMBL4906424 0.77 ALDH1A1 (0.35) ALDH1A1TSHRMAPT
SCHEMBL7919486 0.71 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL14086409 0.69 ALDH1A1 (0.39) ALDH1A1TSHRMAPT
SCHEMBL12130916 0.69 ALDH1A1 (0.45) ALDH1A1TSHRMAPT
SCHEMBL13572509 0.68 TSHR (0.41) ALDH1A1TSHRMAPT
SCHEMBL2580163 0.68 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL9546127 0.68 ALDH1A1 (0.44) ALDH1A1TSHRMAPTACHE
SCHEMBL16204385 0.67 MEN1 (0.41) TSHRMEN1KMT2AACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711270-B1 Polymers comprising 4-substituted cyclohexane units COMMW SCIENT IND RES ORG (AU) 2001-12-19 EP claimed
US-5830966-A Cyclopolymerization monomers and polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-03 US claimed
EP-0711270-B1 Polymers comprising 4-substituted cyclohexane units COMMW SCIENT IND RES ORG (AU) 2001-12-19 EP disclosed
US-5830966-A Cyclopolymerization monomers and polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-03 US disclosed
EP-0711270-A4 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMW SCIENT IND RES ORG (AU) 1997-02-26 EP disclosed
EP-0711270-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-05-15 EP disclosed
WO-1995004026-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-02-09 WO disclosed